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canSAR2277159
FEATURES
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NAMES
    SMILES
    CCCC[S@@+]([O-])c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
    InChI
    InChI=1S/C21H20N2OS3/c1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17/h4-11,13H,2-3,12,22H2,1H3/t27-/m1/s1
    MOLECULAR FORMULA
    C21H20N2OS3
    CROSS REFERENCES
    2277159 logo

    canSAR2277159

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.07
    AlogP 6.18
    HBond donors 2
    HBond acceptors 3
    Atoms 47
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2277159.